Author: bugman Date: Tue Feb 7 18:51:21 2012 New Revision: 15313 URL: http://svn.gna.org/viewcvs/relax?rev=15313&view=rev Log: The torsionless iso cone model target functions now accept the ave pos alpha Euler angle. Modified: branches/frame_order_testing/maths_fns/frame_order.py Modified: branches/frame_order_testing/maths_fns/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=15313&r1=15312&r2=15313&view=diff ============================================================================== --- branches/frame_order_testing/maths_fns/frame_order.py (original) +++ branches/frame_order_testing/maths_fns/frame_order.py Tue Feb 7 18:51:21 2012 @@ -868,9 +868,9 @@ # Unpack the parameters. if self.pivot_opt: self._param_pivot = params[:3] - ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params[3:] + ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params[3:] else: - ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params + ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params # Generate the cone axis from the spherical angles. spherical_to_cartesian([1.0, axis_theta, axis_phi], self.cone_axis) @@ -885,7 +885,7 @@ frame_order_2nd = compile_2nd_matrix_iso_cone_torsionless(self.frame_order_2nd, Rx2_eigen, cone_theta) # Reduce and rotate the tensors. - self.reduce_and_rot(0.0, ave_pos_beta, ave_pos_gamma, frame_order_2nd) + self.reduce_and_rot(ave_pos_alpha, ave_pos_beta, ave_pos_gamma, frame_order_2nd) # Pre-transpose matrices for faster calculations. RT_eigen = transpose(self.R_eigen) @@ -952,9 +952,9 @@ # Unpack the parameters. if self.pivot_opt: self._param_pivot = params[:3] - ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params[3:] + ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params[3:] else: - ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params + ave_pos_alpha, ave_pos_beta, ave_pos_gamma, axis_theta, axis_phi, cone_theta = params # Generate the cone axis from the spherical angles. spherical_to_cartesian([1.0, axis_theta, axis_phi], self.cone_axis) @@ -969,7 +969,7 @@ frame_order_2nd = compile_2nd_matrix_iso_cone_torsionless(self.frame_order_2nd, Rx2_eigen, cone_theta) # Reduce and rotate the tensors. - self.reduce_and_rot(0.0, ave_pos_beta, ave_pos_gamma, frame_order_2nd) + self.reduce_and_rot(ave_pos_alpha, ave_pos_beta, ave_pos_gamma, frame_order_2nd) # Pre-transpose matrices for faster calculations. RT_eigen = transpose(self.R_eigen)